SCHEMBL15975406

SCHEMBL15975406

CC(=O)O[C@H]1C(O[C@@H]2OC(C)[C@H](OCc3ccccc3)C(OCc3ccccc3)[C@@H]2O[C@@H]2OC(C)[C@H](OCc3ccccc3)C(O[C@H]3OC(COCc4ccccc4)[C@@H](OCc4ccccc4)C(OCc4ccccc4)C3C)[C@@H]2O)[C@@H](OCc2ccccc2)C(C)O[C@H]1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.43
▸ GJB2 P29033 3/20 0.42
▸ PTPN1 P18031 8/20 0.42
▸ PTPN2 P17706 3/20 0.42
▸ PTPN11 Q06124 3/20 0.42
▸ CDC25B P30305 5/20 0.41
▸ PTPN6 P29350 2/20 0.40
▸ FGF1 P05230 2/20 0.40
▸ FGF2 P09038 2/20 0.40
▸ VEGFA P15692 2/20 0.40
▸ HPSE Q9Y251 2/20 0.40
▸ GJA1 P17302 1/20 0.39
▸ TACR2 P21452 1/20 0.39
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13129931 0.96 NT5E (0.47) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL15975402 0.95 NT5E (0.45) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL13129966 0.93 NT5E (0.47) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL13129945 0.93 NT5E (0.47) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL13129899 0.93 NT5E (0.47) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL15975386 0.92 NT5E (0.48) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL15975407 0.91 NT5E (0.43) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL15975405 0.90 GJB2 (0.47) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL15975421 0.90 GJB2 (0.49) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL13129822 0.90 NT5E (0.52) NT5EGJB2PTPN1PTPN2PTPN11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815239-B2 Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X INSTITUT PASTEUR (FR) 2014-08-26 — — US disclosed
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